MolNFT v1 · #84774 · protein

Crystal structure of a bacterial homologue of the bile acid sodium symporter asbt.

3ZUX · Transporter: “Crystal structure of a bacterial homologue of the bile acid sodium symporter asbt.”. X-ray diffraction, 4 ligands (TCH, PTY, NA), 3 pockets (best druggability 0.73). MolNFT v1 #84774 on GenesisL1: 3D structure, binding…

PDB: 3ZUX
Type: protein
Length: 308 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transporter
UniProt: Q9K0A9
Ligands: TCH, PTY, NA, HG
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 88% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transporter	protein	308	88% helix, 0% strand	Q9K0A9

Ligands and binding sites

TCH · Taurocholic acid · ligand · 2 copies · chains A
PTY · Phosphatidylethanolamine · ligand · 2 copies · chains A
NA · Sodium ion · metal · 2 copies · chains A
HG · Mercury (II) ion · metal · chains A
LDA · Lauryl dimethylamine-N-oxide · additive · 5 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	554	0.73	0.81	48	TCH, LDA
2	95	0.37	0.74	13	empty
3	61	0.36	0.79	15	empty

Compared structures

3ZUX · Crystal structure of a bacterial homologue of the bile acid sodium symporter ASBT. · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9K0A9
Elsewhere: RCSB PDB 3ZUX · PDBe 3ZUX · UniProt Q9K0A9

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